| CAS Number | 949444-66-0 |
| Catalog Number | AG019P3M |
| Chemical Name | 3-[(2,4-Difluorophenyl)formamido]propanoic acid |
| IUPAC Name | 3-[(2,4-difluorobenzoyl)amino]propanoic acid |
| InChI | InChI=1S/C10H9F2NO3/c11-6-1-2-7(8(12)5-6)10(16)13-4-3-9(14)15/h1-2,5H,3-4H2,(H,13,16)(H,14,15) |
| InChI Key | SSYWEPJEANUKJE-UHFFFAOYSA-N |
| MDL Number | MFCD09802001 |
| Molecular Formula | C10H9F2NO3 |
| Molecular Weight | 229.1802 |
| SMILES | OC(CCNC(C1=C(F)C=C(F)C=C1)=O)=O |
| Synonyms | 3-[(2,4-difluorophenyl)formamido]propanoic acid,
3-[(2,4-difluorobenzoyl)amino]propanoic acid,
949444-66-0,
AC1Q75MM,
SCHEMBL17950994,
CTK7J4291,
ZINC12504820,
AKOS000263885,
MCULE-1123358552,
NE45217,
EN300-18579,
Z85914421,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.183g/mol |
| Monoisotopic Mass | 229.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number